SCHEMBL6604090

SCHEMBL6604090

CCCN(Cc1ccccc1N1CCN(C(=O)CCc2ccc(Cl)cc2)CC1)CC1CC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MC4R P32245 8/20 0.52
KMT2A Q03164 4/20 0.48
MEN1 O00255 2/20 0.48
MAPT P10636 1/20 0.48
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
ME2 P23368 1/20 0.42
ME1 P48163 1/20 0.42
ME3 Q16798 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6604084 0.86 MC4R (0.46) MC4R
SCHEMBL4678279 0.83 MC4R (0.54) MC4R
SCHEMBL4678276 0.78 MC4R (0.41) MC4R
SCHEMBL6602536 0.76 MC4R (0.69) MC4RKMT2AUSP2LMNA
SCHEMBL4679456 0.75 MC4R (0.59) MC4R
SCHEMBL6603967 0.68 KMT2A (0.57) MC4RKMT2AMEN1MAPTUSP2
SCHEMBL2824683 0.67 MAPT (1.00) KMT2AMEN1MAPTLMNAME2
SCHEMBL13504053 0.67 SMN1; SMN2 (0.69) KMT2AMEN1MAPTLMNAME2
SCHEMBL13503947 0.66 MEN1 (0.62) KMT2AMEN1MAPTLMNAME2
SCHEMBL13504080 0.66 FKBP1A (0.53) MC4RKMT2AMEN1MAPTLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1417190-A1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR Amgen Inc. (US) 2004-05-12 EP claimed
WO-2003009850-A1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC. (US) 2003-02-06 WO claimed